Reaction Details Report a problem with these data
Target
Fatty acid-binding protein 5
Ligand
BDBM234706
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay
pH
7.5±n/a
IC50
31±n/a nM
Comments
extracted
Citation
 Buettelmann, B; Ceccarelli, SM; Kuehne, H; Kuhn, B; Neidhart, W; Obst Sander, U; Richter, H Non-annulated thiophenylamides US Patent  US9353102 Publication Date 5/31/2016 
Target
Name:
Fatty acid-binding protein 5
Synonyms:
FABP5 | FABP5_HUMAN | Fatty acid binding protein epidermal | Fatty acid-binding protein 5 (FABP5)
Type:
Enzyme
Mol. Mass.:
15164.79
Organism:
Homo sapiens (Human)
Description:
Q01469
Residue:
135
Sequence:
MATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDGKNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQEWDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKVE
  
Inhibitor
Name:
BDBM234706
Synonyms:
US9353102, 4.12
Type:
Small organic molecule
Emp. Form.:
C21H23N3O3S2
Mol. Mass.:
429.556
SMILES:
Cc1nsc(n1)-c1c(C)c(sc1NC(=O)C1=C(C2CCC1CC2)C(O)=O)C1CC1 |t:17,(1.87,5.18,;.54,4.41,;-.93,4.89,;-1.83,3.64,;-.93,2.4,;.54,2.87,;-1.7,1.06,;-3.16,.59,;-4.49,1.36,;-3.16,-.95,;-1.7,-1.43,;-.79,-.18,;.75,-.18,;1.52,-1.52,;.75,-2.85,;3.06,-1.52,;4.15,-2.61,;5.64,-2.21,;6.03,-.72,;4.95,.37,;3.46,-.03,;4.95,-.43,;4.15,-1.81,;3.75,-4.09,;2.26,-4.49,;4.84,-5.18,;-4.49,-1.72,;-6.03,-1.72,;-5.26,-3.06,)|
Structure:
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